[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid

C18H19N3O3 — CID 135156525

IUPAC[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccc(CN2CCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-17(19-15-4-1-2-5-16(15)20-18(23)24)14-8-6-13(7-9-14)12-21-10-3-11-21/h1-2,4-9,20H,3,10-12H2,(H,19,22)(H,23,24)
InChIKeyMKFCPXJYWKINDO-UHFFFAOYSA-N
MW325.37 g/mol
LogP3.23
Rot. Bonds5

About [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid

[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid (PubChem CID 135156525) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid.

Molecular Properties

Compound Name[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
PubChem CID135156525
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid
SMILESO=C(O)Nc1ccccc1NC(=O)c1ccc(CN2CCC2)cc1
InChIInChI=1S/C18H19N3O3/c22-17(19-15-4-1-2-5-16(15)20-18(23)24)14-8-6-13(7-9-14)12-21-10-3-11-21/h1-2,4-9,20H,3,10-12H2,(H,19,22)(H,23,24)
InChIKeyMKFCPXJYWKINDO-UHFFFAOYSA-N
XLogP3.23
TPSA81.67 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(azepan-1-ylmethyl)-N-(2-ethylphenyl)benzamide
CID 43919325
4-(azepan-1-ylmethyl)-N-(2-methoxyphenyl)benzamide
CID 43920267
4-(piperidin-1-ylmethyl)-N-[2-(trifluoromethyl)phenyl]benzamide
CID 41453944
2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]-N-propan-2-ylbenzamide
CID 41465528
2-methyl-3-[[4-(pyrrolidin-1-ylmethyl)benzoyl]amino]benzamide
CID 53281785
N-[2-[[4-(4-benzyl-1,4-diazepan-1-yl)benzoyl]amino]-3-hydroxyphenyl]-4-methylbenzamide
CID 59108382
4-(azepan-1-ylmethyl)-N-(2-methyl-3-nitrophenyl)benzamide
CID 43924817
N-[(2S)-butan-2-yl]-2-[[4-(piperidin-1-ylmethyl)benzoyl]amino]benzamide
CID 41454477
N-(2-bromophenyl)-4-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)benzamide
CID 1208461
2-[(4-methoxybenzoyl)amino]-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]benzamide
CID 17418127
4-[[4-(2-anilino-2-oxoethyl)piperazin-1-yl]methyl]-N-phenylbenzamide
CID 31694826
N-[2-oxo-2-[4-(piperidin-1-ylmethyl)anilino]ethyl]benzamide
CID 108761981

Frequently Asked Questions

What is the IUPAC name of [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid?
The IUPAC name of [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid (CID 135156525) is [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid.
What is the SMILES notation for [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid?
The canonical SMILES for [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid is O=C(O)Nc1ccccc1NC(=O)c1ccc(CN2CCC2)cc1.
What is the InChIKey of [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid?
The InChIKey is MKFCPXJYWKINDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c22-17(19-15-4-1-2-5-16(15)20-18(23)24)14-8-6-13(7-9-14)12-21-10-3-11-21/h1-2,4-9,20H,3,10-12H2,(H,19,22)(H,23,24).
What are the key properties of [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid?
[2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid has a molecular weight of 325.37 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[[4-(azetidin-1-ylmethyl)benzoyl]amino]phenyl]carbamic acid is sourced from PubChem (CID 135156525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).