N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide

C19H19BrClN3O2 — CID 56556972

IUPACN-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC2(c3cccc(Br)c3)CCC2)c(Cl)c1
InChIInChI=1S/C19H19BrClN3O2/c1-12(25)22-15-6-7-17(16(21)11-15)23-18(26)24-19(8-3-9-19)13-4-2-5-14(20)10-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyRUZWDITZAQXQJQ-UHFFFAOYSA-N
MW436.74 g/mol
LogP5.26
Rot. Bonds4

About N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide

N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide (PubChem CID 56556972) has the molecular formula C19H19BrClN3O2 and a molecular weight of 436.74 g/mol. Its IUPAC name is N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide
PubChem CID56556972
Molecular FormulaC19H19BrClN3O2
Molecular Weight436.74 g/mol
Exact Mass435.03
IUPAC NameN-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide
SMILESCC(=O)Nc1ccc(NC(=O)NC2(c3cccc(Br)c3)CCC2)c(Cl)c1
InChIInChI=1S/C19H19BrClN3O2/c1-12(25)22-15-6-7-17(16(21)11-15)23-18(26)24-19(8-3-9-19)13-4-2-5-14(20)10-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,22,25)(H2,23,24,26)
InChIKeyRUZWDITZAQXQJQ-UHFFFAOYSA-N
XLogP5.26
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.74
LogP ≤ 55.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-acetamido-3-chlorophenyl)-3-bromobenzamide
CID 51321405
1-(3-chloro-4-fluorophenyl)-3-(1-phenylcyclobutyl)urea
CID 113216996
1-(3-bromophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215332
3-acetamido-N-[1-(3-bromophenyl)cyclobutyl]-3-phenylpropanamide
CID 55981804
1-(2,4-dichlorophenyl)-3-[1-(4-methylphenyl)cyclopropyl]urea
CID 113215347
1-(3-bromophenyl)-3-[1-(4-methoxyphenyl)cyclopropyl]urea
CID 113215717
N-[1-(3-chlorophenyl)cyclopentyl]acetamide
CID 110441196
N-[1-(3-bromophenyl)cyclobutyl]-4-chloropyridine-2-carboxamide
CID 55983214
N-(4-acetamido-3-chlorophenyl)-1-aminocyclohexane-1-carboxamide;hydrochloride
CID 119276950
1-[4-[(3-bromobenzoyl)amino]-3-chlorophenyl]cyclobutane-1-carboxylic acid
CID 137463559
1-(2,3-dichlorophenyl)-3-[1-(3,4-dimethoxyphenyl)cyclopropyl]urea
CID 113215905
1-(3-bromophenyl)-3-(2-chlorophenyl)urea
CID 43398005

Frequently Asked Questions

What is the IUPAC name of N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide?
The IUPAC name of N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide (CID 56556972) is N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide.
What is the SMILES notation for N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide?
The canonical SMILES for N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide is CC(=O)Nc1ccc(NC(=O)NC2(c3cccc(Br)c3)CCC2)c(Cl)c1.
What is the InChIKey of N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide?
The InChIKey is RUZWDITZAQXQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrClN3O2/c1-12(25)22-15-6-7-17(16(21)11-15)23-18(26)24-19(8-3-9-19)13-4-2-5-14(20)10-13/h2,4-7,10-11H,3,8-9H2,1H3,(H,22,25)(H2,23,24,26).
What are the key properties of N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide?
N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide has a molecular weight of 436.74 g/mol, XLogP of 5.26, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[1-(3-bromophenyl)cyclobutyl]carbamoylamino]-3-chlorophenyl]acetamide is sourced from PubChem (CID 56556972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).