4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline

C38H43N7O5 — CID 160598237

IUPAC4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1.CC(=O)Nc1ccc(C(=O)O)cc1.CN(C)c1ccccc1.Nc1ccccc1N
InChIInChI=1S/C15H15N3O2.C9H9NO3.C8H11N.C6H8N2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16;1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-9(2)8-6-4-3-5-7-8;7-5-3-1-2-4-6(5)8/h2-9H,16H2,1H3,(H,17,19)(H,18,20);2-5H,1H3,(H,10,11)(H,12,13);3-7H,1-2H3;1-4H,7-8H2
InChIKeyRDXQNQQUAKVRKO-UHFFFAOYSA-N
MW677.81 g/mol
LogP6.43
Rot. Bonds6

About 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline

4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline (PubChem CID 160598237) has the molecular formula C38H43N7O5 and a molecular weight of 677.81 g/mol. Its IUPAC name is 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline.

Molecular Properties

Compound Name4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
PubChem CID160598237
Molecular FormulaC38H43N7O5
Molecular Weight677.81 g/mol
Exact Mass677.33
IUPAC Name4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline
SMILESCC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1.CC(=O)Nc1ccc(C(=O)O)cc1.CN(C)c1ccccc1.Nc1ccccc1N
InChIInChI=1S/C15H15N3O2.C9H9NO3.C8H11N.C6H8N2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16;1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-9(2)8-6-4-3-5-7-8;7-5-3-1-2-4-6(5)8/h2-9H,16H2,1H3,(H,17,19)(H,18,20);2-5H,1H3,(H,10,11)(H,12,13);3-7H,1-2H3;1-4H,7-8H2
InChIKeyRDXQNQQUAKVRKO-UHFFFAOYSA-N
XLogP6.43
TPSA205.90 Ų
H-Bond Donors7
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms50
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500677.81
LogP ≤ 56.43
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-acetamido-N-(2-aminophenyl)benzamide
CID 2746
4-[(2-aminophenyl)carbamoyl]benzoic acid
CID 61408098
N-(4-acetamidophenyl)-4-(dimethylamino)benzamide
CID 669679
4-[[4-[(4-acetamidobenzoyl)amino]benzoyl]amino]benzoic acid
CID 155141284
N-(2-aminophenyl)-4-(hydroxyamino)benzamide
CID 155418611
4-[(N-acetylanilino)methyl]-N-(2-aminophenyl)benzamide
CID 11417056
(4-acetamidophenyl)-hydroperoxyarsinic acid;N-(2-aminophenyl)benzamide
CID 174259115
4-[[2-(dimethylamino)phenyl]carbamoyl]benzoic acid
CID 106760608
1-N-[4-(dimethylamino)phenyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109049739
N-(2-aminophenyl)-4-(3-methyl-2,4-dioxopentan-3-yl)benzamide
CID 59376462
N-(2-aminophenyl)-4-hydroxybenzamide;ethane
CID 145225833
N-(2-aminophenyl)-4-[[[4-(dimethylamino)phenyl]carbamoyl-[3-(2-oxopyrrolidin-1-yl)propyl]amino]methyl]benzamide
CID 58001052

Frequently Asked Questions

What is the IUPAC name of 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline?
The IUPAC name of 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline (CID 160598237) is 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline.
What is the SMILES notation for 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline?
The canonical SMILES for 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline is CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1.CC(=O)Nc1ccc(C(=O)O)cc1.CN(C)c1ccccc1.Nc1ccccc1N.
What is the InChIKey of 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline?
The InChIKey is RDXQNQQUAKVRKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2.C9H9NO3.C8H11N.C6H8N2/c1-10(19)17-12-8-6-11(7-9-12)15(20)18-14-5-3-2-4-13(14)16;1-6(11)10-8-4-2-7(3-5-8)9(12)13;1-9(2)8-6-4-3-5-7-8;7-5-3-1-2-4-6(5)8/h2-9H,16H2,1H3,(H,17,19)(H,18,20);2-5H,1H3,(H,10,11)(H,12,13);3-7H,1-2H3;1-4H,7-8H2.
What are the key properties of 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline?
4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline has a molecular weight of 677.81 g/mol, XLogP of 6.43, 6 rotatable bonds, 7 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-N-(2-aminophenyl)benzamide;4-acetamidobenzoic acid;benzene-1,2-diamine;N,N-dimethylaniline is sourced from PubChem (CID 160598237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).