N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide

C14H21ClN4O2 — CID 103101430

IUPACN-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
SMILESCCN(CCCC(=O)Nc1ccc(N)cc1Cl)CC(N)=O
InChIInChI=1S/C14H21ClN4O2/c1-2-19(9-13(17)20)7-3-4-14(21)18-12-6-5-10(16)8-11(12)15/h5-6,8H,2-4,7,9,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyALFXSYXOWDNFLT-UHFFFAOYSA-N
MW312.80 g/mol
LogP1.45
Rot. Bonds8

About N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide

N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide (PubChem CID 103101430) has the molecular formula C14H21ClN4O2 and a molecular weight of 312.80 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
PubChem CID103101430
Molecular FormulaC14H21ClN4O2
Molecular Weight312.80 g/mol
Exact Mass312.14
IUPAC NameN-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide
SMILESCCN(CCCC(=O)Nc1ccc(N)cc1Cl)CC(N)=O
InChIInChI=1S/C14H21ClN4O2/c1-2-19(9-13(17)20)7-3-4-14(21)18-12-6-5-10(16)8-11(12)15/h5-6,8H,2-4,7,9,16H2,1H3,(H2,17,20)(H,18,21)
InChIKeyALFXSYXOWDNFLT-UHFFFAOYSA-N
XLogP1.45
TPSA101.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.80
LogP ≤ 51.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-4-(dipropylamino)butanamide
CID 16778958
N-(4-amino-2-chlorophenyl)-4-[ethyl(methyl)amino]butanamide
CID 43262963
4-[(2-amino-2-oxoethyl)-ethylamino]-N-(4-aminophenyl)butanamide
CID 103101347
N-(4-amino-2-chlorophenyl)-4-[bis(2-hydroxyethyl)amino]butanamide
CID 61245206
2-[[2-(4-amino-2-chloroanilino)-2-oxoethyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62921849
2-[[2-(5-amino-2-chloroanilino)-2-oxoethyl]-ethylamino]acetamide
CID 103101383
N-(4-amino-2-chlorophenyl)-3-[ethyl(2-methoxyethyl)amino]propanamide
CID 61443945
N-(4-amino-2-chlorophenyl)-2-[cyclopropylmethyl(ethyl)amino]acetamide
CID 63955922
N-(4-amino-2-chlorophenyl)-2-[ethyl-(2-hydroxy-2-methylpropyl)amino]acetamide
CID 79384076
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
N-(4-amino-2-methylphenyl)-4-(dipropylamino)butanamide
CID 16779092
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide (CID 103101430) is N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide is CCN(CCCC(=O)Nc1ccc(N)cc1Cl)CC(N)=O.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide?
The InChIKey is ALFXSYXOWDNFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O2/c1-2-19(9-13(17)20)7-3-4-14(21)18-12-6-5-10(16)8-11(12)15/h5-6,8H,2-4,7,9,16H2,1H3,(H2,17,20)(H,18,21).
What are the key properties of N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide?
N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide has a molecular weight of 312.80 g/mol, XLogP of 1.45, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-4-[(2-amino-2-oxoethyl)-ethylamino]butanamide is sourced from PubChem (CID 103101430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).