N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide

C13H16BrN3O2 — CID 47323048

IUPACN-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCC1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2/c14-10-3-5-11(6-4-10)17-12(18)8-16-13(19)15-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyKXOCUJSGKGOEAY-UHFFFAOYSA-N
MW326.19 g/mol
LogP2.10
Rot. Bonds5

About N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide

N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide (PubChem CID 47323048) has the molecular formula C13H16BrN3O2 and a molecular weight of 326.19 g/mol. Its IUPAC name is N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide
PubChem CID47323048
Molecular FormulaC13H16BrN3O2
Molecular Weight326.19 g/mol
Exact Mass325.04
IUPAC NameN-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide
SMILESO=C(CNC(=O)NCC1CC1)Nc1ccc(Br)cc1
InChIInChI=1S/C13H16BrN3O2/c14-10-3-5-11(6-4-10)17-12(18)8-16-13(19)15-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,17,18)(H2,15,16,19)
InChIKeyKXOCUJSGKGOEAY-UHFFFAOYSA-N
XLogP2.10
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.19
LogP ≤ 52.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-bromophenyl)-2-[(4-hydroxycyclohexyl)methylamino]acetamide
CID 106133833
2-[(4-bromophenyl)carbamoylamino]-N-(4-fluorophenyl)acetamide
CID 60605382
N-(4-bromophenyl)-3-[[N-(cyclopropylmethyl)-N'-methylcarbamimidoyl]amino]propanamide
CID 111869112
N-[2-(4-bromoanilino)-2-oxoethyl]-2,2-dimethylpropanamide
CID 36899593
1-(cyclopropylmethyl)-3-(4-hydroxyphenyl)urea
CID 67194486
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[2-(4-bromoanilino)-2-oxoethyl]acetamide
CID 119738014
2-(cyclopropylmethylamino)-N-[2-(4-fluoroanilino)-2-oxoethyl]acetamide
CID 119758034
N-(4-bromophenyl)-2-(thiolan-3-ylmethylamino)acetamide
CID 107165940
3-amino-N-[2-(4-bromoanilino)-2-oxoethyl]cyclohexane-1-carboxamide
CID 119738004
1-(cyclopropylmethyl)-3-(4-iodophenyl)urea
CID 47032047
2-(cyclopropylmethylamino)-N-(4-methylphenyl)acetamide
CID 28566911
N-(4-bromophenyl)-2-[(1,1-dioxothiolan-3-yl)methylamino]acetamide
CID 61058649

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide?
The IUPAC name of N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide (CID 47323048) is N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide.
What is the SMILES notation for N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide?
The canonical SMILES for N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide is O=C(CNC(=O)NCC1CC1)Nc1ccc(Br)cc1.
What is the InChIKey of N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide?
The InChIKey is KXOCUJSGKGOEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O2/c14-10-3-5-11(6-4-10)17-12(18)8-16-13(19)15-7-9-1-2-9/h3-6,9H,1-2,7-8H2,(H,17,18)(H2,15,16,19).
What are the key properties of N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide?
N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide has a molecular weight of 326.19 g/mol, XLogP of 2.10, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-2-(cyclopropylmethylcarbamoylamino)acetamide is sourced from PubChem (CID 47323048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).