N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide

C19H21ClN4O2 — CID 119752578

IUPACN-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN4O2/c20-14-3-5-16(6-4-14)23-19(26)24-17-9-7-15(8-10-17)22-18(25)12-21-11-13-1-2-13/h3-10,13,21H,1-2,11-12H2,(H,22,25)(H2,23,24,26)
InChIKeyJOKSBKOLKUYEPZ-UHFFFAOYSA-N
MW372.86 g/mol
LogP3.92
Rot. Bonds7

About N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide

N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide (PubChem CID 119752578) has the molecular formula C19H21ClN4O2 and a molecular weight of 372.86 g/mol. Its IUPAC name is N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide.

Molecular Properties

Compound NameN-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
PubChem CID119752578
Molecular FormulaC19H21ClN4O2
Molecular Weight372.86 g/mol
Exact Mass372.14
IUPAC NameN-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide
SMILESO=C(CNCC1CC1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1
InChIInChI=1S/C19H21ClN4O2/c20-14-3-5-16(6-4-14)23-19(26)24-17-9-7-15(8-10-17)22-18(25)12-21-11-13-1-2-13/h3-10,13,21H,1-2,11-12H2,(H,22,25)(H2,23,24,26)
InChIKeyJOKSBKOLKUYEPZ-UHFFFAOYSA-N
XLogP3.92
TPSA82.26 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.86
LogP ≤ 53.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
2-(cyclopropylmethylamino)-N-(3,5-dichlorophenyl)acetamide
CID 60842452
methyl N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]carbamate
CID 60866405
N-[4-[[2-(cyclopropylmethylamino)acetyl]amino]phenyl]cyclopropanecarboxamide;hydrochloride
CID 119700150
4-[[2-(cyclopropylmethylamino)acetyl]amino]benzamide;hydrochloride
CID 119672411
2-(cyclopropylmethylamino)-N-(4-fluoro-3-methylphenyl)acetamide;hydrochloride
CID 119707226
4-[[2-(cyclopropylmethylamino)acetyl]amino]-N-methylbenzamide
CID 60868348
2-(cyclopropylmethylamino)-N-(4-methylsulfanylphenyl)acetamide;hydrochloride
CID 119694268
N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
N-[(4-chlorophenyl)methyl]-2-(cyclopropylmethylamino)acetamide
CID 54925408
2-(cyclopropylmethylamino)-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 60842957

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide?
The IUPAC name of N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide (CID 119752578) is N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide.
What is the SMILES notation for N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide?
The canonical SMILES for N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide is O=C(CNCC1CC1)Nc1ccc(NC(=O)Nc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide?
The InChIKey is JOKSBKOLKUYEPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2/c20-14-3-5-16(6-4-14)23-19(26)24-17-9-7-15(8-10-17)22-18(25)12-21-11-13-1-2-13/h3-10,13,21H,1-2,11-12H2,(H,22,25)(H2,23,24,26).
What are the key properties of N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide?
N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide has a molecular weight of 372.86 g/mol, XLogP of 3.92, 7 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-chlorophenyl)carbamoylamino]phenyl]-2-(cyclopropylmethylamino)acetamide is sourced from PubChem (CID 119752578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).