N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

C19H20ClN3O2 — CID 29450444

IUPACN-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CNc1ccccc1Cl)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-1-2-7-17(16)21-12-18(24)22-11-13-4-3-5-15(10-13)23-19(25)14-8-9-14/h1-7,10,14,21H,8-9,11-12H2,(H,22,24)(H,23,25)
InChIKeyOLQJKTFQNUJTIG-UHFFFAOYSA-N
MW357.84 g/mol
LogP3.42
Rot. Bonds7

About N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide

N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (PubChem CID 29450444) has the molecular formula C19H20ClN3O2 and a molecular weight of 357.84 g/mol. Its IUPAC name is N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
PubChem CID29450444
Molecular FormulaC19H20ClN3O2
Molecular Weight357.84 g/mol
Exact Mass357.12
IUPAC NameN-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
SMILESO=C(CNc1ccccc1Cl)NCc1cccc(NC(=O)C2CC2)c1
InChIInChI=1S/C19H20ClN3O2/c20-16-6-1-2-7-17(16)21-12-18(24)22-11-13-4-3-5-15(10-13)23-19(25)14-8-9-14/h1-7,10,14,21H,8-9,11-12H2,(H,22,24)(H,23,25)
InChIKeyOLQJKTFQNUJTIG-UHFFFAOYSA-N
XLogP3.42
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.84
LogP ≤ 53.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloroanilino)-N-[[3-[[2-(2-chloroanilino)acetyl]amino]phenyl]methyl]acetamide
CID 51132431
N-[3-[[2-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-2-oxoethyl]amino]-4-methylphenyl]benzamide
CID 52703680
N-[3-[[[2-[5-chloro-2-(piperidine-1-carbonyl)anilino]acetyl]amino]methyl]phenyl]cyclopropanecarboxamide
CID 60537264
N-[3-[(3,3-diphenylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 29303854
N-[3-[[(2-methoxyacetyl)amino]methyl]phenyl]cyclopropanecarboxamide
CID 60703389
2-chloro-N-[3-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-3-oxo-1-phenylpropyl]benzamide
CID 24566967
N-[3-[(2-methylpropanoylamino)methyl]phenyl]cyclopropanecarboxamide
CID 17398040
N-[3-(chloromethyl)phenyl]cyclopropanecarboxamide
CID 114293194
2-chloro-N-[(2S)-1-[[3-(cyclopropanecarbonylamino)phenyl]methylamino]-1-oxopropan-2-yl]benzamide
CID 24571435
N-[3-[[3-(4-ethylphenyl)propanoylamino]methyl]phenyl]cyclopropanecarboxamide
CID 46420384
N-[[3-(cyclopropanecarbonylamino)phenyl]methyl]-2-fluorobenzamide
CID 17498569
N-[3-[[2-(3-ethylanilino)-2-oxoethyl]amino]-4-methylphenyl]cyclopropanecarboxamide
CID 55896924

Frequently Asked Questions

What is the IUPAC name of N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The IUPAC name of N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide (CID 29450444) is N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The canonical SMILES for N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is O=C(CNc1ccccc1Cl)NCc1cccc(NC(=O)C2CC2)c1.
What is the InChIKey of N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
The InChIKey is OLQJKTFQNUJTIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O2/c20-16-6-1-2-7-17(16)21-12-18(24)22-11-13-4-3-5-15(10-13)23-19(25)14-8-9-14/h1-7,10,14,21H,8-9,11-12H2,(H,22,24)(H,23,25).
What are the key properties of N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide?
N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide has a molecular weight of 357.84 g/mol, XLogP of 3.42, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[[2-(2-chloroanilino)acetyl]amino]methyl]phenyl]cyclopropanecarboxamide is sourced from PubChem (CID 29450444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).