4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide

C21H18ClN3O3 — CID 46649852

IUPAC4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-18-3-1-2-4-19(18)28-17-11-9-16(10-12-17)25-20(26)15-7-5-14(6-8-15)13-24-21(23)27/h1-12H,13H2,(H,25,26)(H3,23,24,27)
InChIKeyUMROHIXVRYUIHE-UHFFFAOYSA-N
MW395.85 g/mol
LogP4.55
Rot. Bonds6

About 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide

4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide (PubChem CID 46649852) has the molecular formula C21H18ClN3O3 and a molecular weight of 395.85 g/mol. Its IUPAC name is 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide.

Molecular Properties

Compound Name4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
PubChem CID46649852
Molecular FormulaC21H18ClN3O3
Molecular Weight395.85 g/mol
Exact Mass395.10
IUPAC Name4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide
SMILESNC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1
InChIInChI=1S/C21H18ClN3O3/c22-18-3-1-2-4-19(18)28-17-11-9-16(10-12-17)25-20(26)15-7-5-14(6-8-15)13-24-21(23)27/h1-12H,13H2,(H,25,26)(H3,23,24,27)
InChIKeyUMROHIXVRYUIHE-UHFFFAOYSA-N
XLogP4.55
TPSA93.45 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(carbamoylamino)methyl]-N-(4-propan-2-ylphenyl)benzamide
CID 35018877
N-[4-(2-chlorophenoxy)phenyl]-6-methylpyridine-3-carboxamide
CID 30291841
4-[(carbamoylamino)methyl]-N-[4-(cyclopropylmethoxy)phenyl]benzamide
CID 75371278
N-[4-(2-chlorophenoxy)phenyl]-4-(2-oxopiperidin-1-yl)benzamide
CID 18288988
methyl 2-[5-[[4-(2-chlorophenoxy)phenyl]carbamoyl]-2-methoxyphenoxy]acetate
CID 55772777
N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-[(carbamoylamino)methyl]benzamide
CID 55993506
[4-(2-chlorophenoxy)phenyl]thiourea
CID 13275077
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
4-[(carbamoylamino)methyl]-N-(4-cyanophenyl)benzamide
CID 35614200
4-(2-amino-2-oxoethoxy)-3-chloro-N-[4-(2-chlorophenoxy)phenyl]-5-methoxybenzamide
CID 24612595
[4-[[4-[(2-chlorobenzoyl)amino]phenyl]methylcarbamoyl]phenyl] ethyl carbonate
CID 108931169
N-[4-(2-chlorophenoxy)phenyl]-2-cyanoacetamide
CID 168524296

Frequently Asked Questions

What is the IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide?
The IUPAC name of 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide (CID 46649852) is 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide.
What is the SMILES notation for 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide?
The canonical SMILES for 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide is NC(=O)NCc1ccc(C(=O)Nc2ccc(Oc3ccccc3Cl)cc2)cc1.
What is the InChIKey of 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide?
The InChIKey is UMROHIXVRYUIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18ClN3O3/c22-18-3-1-2-4-19(18)28-17-11-9-16(10-12-17)25-20(26)15-7-5-14(6-8-15)13-24-21(23)27/h1-12H,13H2,(H,25,26)(H3,23,24,27).
What are the key properties of 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide?
4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide has a molecular weight of 395.85 g/mol, XLogP of 4.55, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(carbamoylamino)methyl]-N-[4-(2-chlorophenoxy)phenyl]benzamide is sourced from PubChem (CID 46649852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).