N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide

C19H21ClN2O2 — CID 18151252

IUPACN-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)19(24)22-17-9-5-15(6-10-17)12-21-18(23)11-14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDRTFJKSDDQRHPB-UHFFFAOYSA-N
MW344.84 g/mol
LogP3.79
Rot. Bonds6

About N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide

N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide (PubChem CID 18151252) has the molecular formula C19H21ClN2O2 and a molecular weight of 344.84 g/mol. Its IUPAC name is N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
PubChem CID18151252
Molecular FormulaC19H21ClN2O2
Molecular Weight344.84 g/mol
Exact Mass344.13
IUPAC NameN-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN2O2/c1-13(2)19(24)22-17-9-5-15(6-10-17)12-21-18(23)11-14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyDRTFJKSDDQRHPB-UHFFFAOYSA-N
XLogP3.79
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.84
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-chloro-N-[3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropyl]benzamide
CID 55510352
3-amino-N-[[4-(2-methylpropanoylamino)phenyl]methyl]butanamide;hydrochloride
CID 119701237
5-bromo-N-[[4-(2-methylpropanoylamino)phenyl]methyl]pentanamide
CID 107907654
N-[4-[[[(2R)-2-aminopropanoyl]amino]methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277416
N-[4-[(2-aminopropanoylamino)methyl]phenyl]-2-methylpropanamide;hydrochloride
CID 119277407
2-methyl-3-[[4-(2-methylpropanoylamino)phenyl]methylamino]-3-oxopropanoic acid
CID 114897148
2-methyl-N-[4-[[[2-(prop-2-ynylamino)acetyl]amino]methyl]phenyl]propanamide
CID 78915789
1-(4-chlorophenyl)-3-[(4-propan-2-ylphenyl)methyl]urea
CID 172617530
3-amino-2-methyl-N-[[4-(2-methylpropanoylamino)phenyl]methyl]propanamide
CID 62668740
2-(4-chlorophenyl)-N-[[4-(diethylamino)phenyl]methyl]acetamide
CID 100610001
4-[(carbamoylamino)methyl]-N-[4-(2-methylpropanoylamino)phenyl]benzamide
CID 36557221
N-[4-[[2-(3-chlorophenoxy)propanoylamino]methyl]phenyl]-2-methylpropanamide
CID 51332873

Frequently Asked Questions

What is the IUPAC name of N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The IUPAC name of N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide (CID 18151252) is N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1ccc(CNC(=O)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
The InChIKey is DRTFJKSDDQRHPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O2/c1-13(2)19(24)22-17-9-5-15(6-10-17)12-21-18(23)11-14-3-7-16(20)8-4-14/h3-10,13H,11-12H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide?
N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide has a molecular weight of 344.84 g/mol, XLogP of 3.79, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[[2-(4-chlorophenyl)acetyl]amino]methyl]phenyl]-2-methylpropanamide is sourced from PubChem (CID 18151252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).