N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide

C16H17BrN2O2 — CID 110880174

IUPACN-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-14-6-2-4-12(8-14)10-20)16(21)19-15-7-3-5-13(17)9-15/h2-9,11,18,20H,10H2,1H3,(H,19,21)
InChIKeyVZFCMWZGIAKDMX-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.38
Rot. Bonds5

About N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide

N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide (PubChem CID 110880174) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
PubChem CID110880174
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC NameN-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
SMILESCC(Nc1cccc(CO)c1)C(=O)Nc1cccc(Br)c1
InChIInChI=1S/C16H17BrN2O2/c1-11(18-14-6-2-4-12(8-14)10-20)16(21)19-15-7-3-5-13(17)9-15/h2-9,11,18,20H,10H2,1H3,(H,19,21)
InChIKeyVZFCMWZGIAKDMX-UHFFFAOYSA-N
XLogP3.38
TPSA61.36 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880177
(2R)-2-(3-bromoanilino)-N-(3-methylphenyl)propanamide
CID 2464663
(2R)-N-[4-(dimethylamino)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 9299409
N-[4-(difluoromethoxy)phenyl]-2-[3-(hydroxymethyl)anilino]propanamide
CID 110878851
N-(3-bromophenyl)-2-(4-methoxyanilino)propanamide
CID 51242436
(2S)-2-(3-bromoanilino)-N-(2-methylpropyl)propanamide
CID 28840479
N-[3-(hydroxymethyl)phenyl]-2-[[2-(methylamino)acetyl]amino]propanamide
CID 155724825
N-(2-ethoxyphenyl)-2-[3-(hydroxymethyl)anilino]propanamide
CID 110880183
2-bromo-N-(3-bromophenyl)-3-methylbutanamide
CID 24698066
(2R)-N-(3-bromophenyl)-2-methylbutanamide
CID 670010
2-(3-bromoanilino)-N-butan-2-ylpropanamide
CID 43112804
2-[3-(hydroxymethyl)anilino]-N-(2,2,2-trifluoroethyl)propanamide
CID 110877911

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The IUPAC name of N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide (CID 110880174) is N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide.
What is the SMILES notation for N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The canonical SMILES for N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide is CC(Nc1cccc(CO)c1)C(=O)Nc1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
The InChIKey is VZFCMWZGIAKDMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11(18-14-6-2-4-12(8-14)10-20)16(21)19-15-7-3-5-13(17)9-15/h2-9,11,18,20H,10H2,1H3,(H,19,21).
What are the key properties of N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide?
N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide has a molecular weight of 349.23 g/mol, XLogP of 3.38, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-2-[3-(hydroxymethyl)anilino]propanamide is sourced from PubChem (CID 110880174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).