N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide

C11H14ClNO2 — CID 125472898

IUPACN-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide
SMILESCOc1cccc(C[C@H](C)NC=O)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-8(13-7-14)6-9-4-3-5-10(15-2)11(9)12/h3-5,7-8H,6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyNUNLSVYKFIBJHL-QMMMGPOBSA-N
MW227.69 g/mol
LogP2.03
Rot. Bonds5

About N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide

N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide (PubChem CID 125472898) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide.

Molecular Properties

Compound NameN-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide
PubChem CID125472898
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC NameN-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide
SMILESCOc1cccc(C[C@H](C)NC=O)c1Cl
InChIInChI=1S/C11H14ClNO2/c1-8(13-7-14)6-9-4-3-5-10(15-2)11(9)12/h3-5,7-8H,6H2,1-2H3,(H,13,14)/t8-/m0/s1
InChIKeyNUNLSVYKFIBJHL-QMMMGPOBSA-N
XLogP2.03
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[(2-chloro-3-methoxyphenyl)methyl]hydroxylamine
CID 117280945
1-(2-bromo-3-methoxyphenyl)-N-methylpropan-2-amine
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2-methoxy-6-[2-(methylamino)propyl]phenol
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N-[2-(3-methoxy-2-methylphenyl)-1-thiophen-2-ylethyl]formamide
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2-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]-6-methylaniline
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CID 63307948
[2-chloro-3-(2-methylpropyl)phenyl] propanoate
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N-[1-(2-methoxyphenyl)propan-2-yl]ethanesulfonamide
CID 47070223
1-(2-methoxyphenyl)propan-2-ylurea
CID 21433825
1-[1-[(2-chloro-3-methoxyphenyl)methyl]pyrazol-3-yl]ethanol
CID 126835821
3-chloro-N-[1-(2-methoxyphenyl)propan-2-yl]propanamide
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N-[(3,5-dichlorophenyl)methyl]-1-(2-methoxyphenyl)propan-2-amine
CID 63452912

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide?
The IUPAC name of N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide (CID 125472898) is N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide.
What is the SMILES notation for N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide?
The canonical SMILES for N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide is COc1cccc(C[C@H](C)NC=O)c1Cl.
What is the InChIKey of N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide?
The InChIKey is NUNLSVYKFIBJHL-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H14ClNO2/c1-8(13-7-14)6-9-4-3-5-10(15-2)11(9)12/h3-5,7-8H,6H2,1-2H3,(H,13,14)/t8-/m0/s1.
What are the key properties of N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide?
N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide has a molecular weight of 227.69 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(2-chloro-3-methoxyphenyl)propan-2-yl]formamide is sourced from PubChem (CID 125472898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).